SCHEMBL3208258

SCHEMBL3208258

c1nc(CCNCC2CCCN2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 2/20 0.35
HRH3 Q9Y5N1 3/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
SCN1A P35498 1/20 0.32
SCN9A Q15858 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3207984 0.77 GNAI3 (0.41) HRH3
SCHEMBL7622360 0.76
SCHEMBL31364605 0.75 ALDH1A1 (0.31)
SCHEMBL31364603 0.75 ALDH1A1 (0.31)
SCHEMBL8057395 0.72 PRCP (0.48) SCN9A
SCHEMBL3208254 0.72 PRCP (0.48) SCN9A
SCHEMBL12133581 0.72 POLB (0.54)
SCHEMBL20056668 0.72 POLB (0.54)
SCHEMBL17654953 0.70 EPHX2 (0.33)
SCHEMBL3646814 0.70 LTA4H (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B CHRNA3 4826/4885HRH3 4743/4885IDO1 2695/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.